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tert-Butyl 4-methyl-2-(pent-4-en-1-yl)-1H-pyrrole-1-carboxylate
SpectraBase Compound ID LqbjWj739Jw
InChI InChI=1S/C15H23NO2/c1-6-7-8-9-13-10-12(2)11-16(13)14(17)18-15(3,4)5/h6,10-11H,1,7-9H2,2-5H3
InChIKey WDHMGTNYZXOMQO-UHFFFAOYSA-N
Mol Weight 249.35 g/mol
Molecular Formula C15H23NO2
Exact Mass 249.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENThPx0ExR5
Name tert-Butyl 4-methyl-2-(pent-4-en-1-yl)-1H-pyrrole-1-carboxylate
Appearance Pale yellow oil
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Exact Mass 249.172878983 u
Formula C15H23NO2
InChI InChI=1S/C15H23NO2/c1-6-7-8-9-13-10-12(2)11-16(13)14(17)18-15(3,4)5/h6,10-11H,1,7-9H2,2-5H3
InChIKey WDHMGTNYZXOMQO-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 or API QSTAR PULSAR iLC/MS/TOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201711439
Molecular Weight 249.354 g/mol
Quality 87
Reported Formula C15H23NO2
SMILES C(CC1=CC(=CN1C(OC(C)(C)C)=O)C)CC=C
SPLASH splash10-0006-8900000000-980f2d8fdbc9f7e73ffa
Source of Spectrum ACI-57-SM38-2i.5 (DOI: 10.1002/anie.201711439)
Thin-Layer Chromatography 0.62 (EtOAc/hexane, 5%)
Wiley ID 1890692